SCHEMBL3741928

SCHEMBL3741928

CCCCOC(C(=O)O)C(CC(=O)O)C(=O)O.OCCCCOCCCCOCCCCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 6/20 0.36
RARB P10826 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TP53 P04637 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
PLA2G4B P0C869 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3742170 1.00 TSHR (0.40) TSHRMEN1THRBHTTKMT2A
1,4-Butanediol SCHEMBL3732396 0.94 TDP1 (0.39) TSHRACHETDP1TP53MMP9
Di(Hydroxyethyl)Ether SCHEMBL3729166 0.92 TSHR (0.46) TSHRMEN1THRBHTTKMT2A
Tetraethylene Glycol SCHEMBL3736955 0.90 TSHR (0.44) TSHRMEN1THRBHTTKMT2A
Triethylene Glycol SCHEMBL3742223 0.90 TSHR (0.44) TSHRMEN1THRBHTTKMT2A
Ethylene Glycol SCHEMBL3731105 0.90 TDP1 (0.41) TSHRACHETDP1TP53MMP9
1,4-Butanediol SCHEMBL3734520 0.87 TDP1 (0.41) ACHETDP1
SCHEMBL27619678 0.87 TDP1 (0.43) TSHRRARBTDP1TP53MMP9
SCHEMBL3460766 0.83 TDP1 (0.46) TDP1
Propylene Glycol SCHEMBL3732522 0.83 TDP1 (0.37) TSHRTDP1TP53MMP9MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed